SCHEMBL5089340

SCHEMBL5089340

C=CCC(CC)C(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
CPA1 P15085 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
USP2 O75604 1/20 0.33
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA1 P00915 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5060532 0.83 GRIK1 (0.37) GRIK1GRIK2CPA1TSHRCA2
SCHEMBL5377593 0.81 GRIK1 (0.42) GRIK1GRIK2CPA1TSHRALDH1A1
SCHEMBL5508483 0.80 GRIK1 (0.38) GRIK1GRIK2CPA1TSHRALDH1A1
SCHEMBL1728215 0.79
SCHEMBL629461 0.79
SCHEMBL6729775 0.79
SCHEMBL11869712 0.77
SCHEMBL28717121 0.77 USP2 (0.33) TSHRUSP2CA2MAPK1CA1
Hydrogen Sulfide SCHEMBL27837245 0.77 GRIK1 (0.53) GRIK1GRIK2CPA1TSHRUSP2
SCHEMBL6724705 0.77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312112-A1 Lubricating formulations for dispersancy and temperature, friction, and wear reduction LYON DEVELOPMENT CORPORATION 2008-12-18 US disclosed